Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 5-methoxy-3-methylpentyl tetradecyl ester

InChI

InChI=1S/C29H54O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-33-28(30)26-18-15-16-19-27(26)29(31)34-24-21-25(2)20-23-32-3/h25-27H,4-24H2,1-3H3

InChI Key

IATSOPYJXPEVGI-UHFFFAOYSA-N

Formula

C29H54O5

SMILES

CCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCC(C)CCOC

Molecular Weight¹

482.75

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	67.01	kJ/mol	Joback Calculated Property
log10WS	-6.95		Relay (1.0) Calculated Property
logPoct/wat	7.643		Crippen Calculated Property
McVol	429.360	ml/mol	McGowan Calculated Property
Inp	[3287.00; 3287.00]
Inp	3287.00		NIST
Inp	3287.00		NIST
Tboil	692.62	K	Relay (1.0) Calculated Property
Tfus	302.41	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1569.81; 1647.78]	J/mol×K	[1052.36; 1300.80]
Cp,gas	1569.81	J/mol×K	1052.36	Joback Calculated Property
Cp,gas	1589.29	J/mol×K	1093.77	Joback Calculated Property
Cp,gas	1606.10	J/mol×K	1135.17	Joback Calculated Property
Cp,gas	1620.30	J/mol×K	1176.58	Joback Calculated Property
Cp,gas	1631.94	J/mol×K	1217.99	Joback Calculated Property
Cp,gas	1641.08	J/mol×K	1259.39	Joback Calculated Property
Cp,gas	1647.78	J/mol×K	1300.80	Joback Calculated Property
η	[0.0000124; 0.0002620]	Pa×s	[571.28; 1052.36]
η	0.0002620	Pa×s	571.28	Joback Calculated Property
η	0.0001152	Pa×s	651.46	Joback Calculated Property
η	0.0000607	Pa×s	731.64	Joback Calculated Property
η	0.0000362	Pa×s	811.82	Joback Calculated Property
η	0.0000238	Pa×s	892.00	Joback Calculated Property
η	0.0000167	Pa×s	972.18	Joback Calculated Property
η	0.0000124	Pa×s	1052.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 5-methoxy-3-methylpentyl tetradecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.